Chemical ID: 5140083

c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)Nc4ccccc4[N+](=O)[O-]
Chemical ID:
5140083
Name [?]:
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)Nc4ccccc4[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21N5O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.50741
Area:689.707
Solvation:-7.73527
Coulombic:-48.5321
Bond Count [?]
All:36
Single:23
Double:13
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:459.521
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.47
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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